3-bromanyl-4-(2-methoxyethoxy)-N-(4-phenylpiperazin-1-yl)carbothioyl-benzamide

Systemtic Name: 3-bromanyl-4-(2-methoxyethoxy)-N-(4-phenylpiperazin-1-yl)carbothioyl-benzamide Openeye Name: 3-bromo-4-(2-methoxyethoxy)-N-(4-phenylpiperazine-1-carbothioyl)benzamide CAS Name: 3-bromo-4-(2-methoxyethoxy)-N-[(4-phenyl-1-piperazinyl)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(2-methoxyethoxy)-N-(4-phenylpiperazine-1-carbothioyl)benzamide Traditional Name: 3-bromo-4-(2-methoxyethoxy)-N-(4-phenylpiperazine-1-carbothioyl)benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3)Br

Isomeric SMILES

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=CC=CC=C3)Br

InChI

InChI=1S/C21H24BrN3O3S/c1-27-13-14-28-19-8-7-16(15-18(19)22)20(26)23-21(29)25-11-9-24(10-12-25)17-5-3-2-4-6-17/h2-8,15H,9-14H2,1H3,(H,23,26,29)